SCHEMBL15066965

SCHEMBL15066965

CCC(C)Oc1cc[c]c(-c2[c]ccc(OC(C)CC)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
ACACB O00763 4/20 0.34
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MTNR1A P48039 6/20 0.31
MTNR1B P49286 6/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17164336 0.82 GPBAR1 (0.35) GPBAR1CYSLTR1ACACBGAAHSD17B10
SCHEMBL15066876 0.80 ALDH1A1 (0.41) GAAHSD17B10MAPTGABRA1GABRG2
SCHEMBL9988719 0.76 ACACB (0.37) GPBAR1CYSLTR1ACACBGAAHSD17B10
SCHEMBL533652 0.76 ACACB (0.37) GPBAR1CYSLTR1ACACBGAAHSD17B10
SCHEMBL11665507 0.74 GPBAR1 (0.55) GPBAR1CYSLTR1GAAHSD17B10MAPT
SCHEMBL122883 0.73 ACACB (0.45) GPBAR1CYSLTR1ACACBMAPTHDAC1
SCHEMBL15067112 0.72 NQO1 (0.48) HSD17B10MAPTALDH1A1TSHR
SCHEMBL15067484 0.72 NR1H4 (0.38) GAAHSD17B10MAPTALDH1A1TSHR
SCHEMBL14604949 0.70 HPGD (0.47) GPBAR1CYSLTR1GAAHSD17B10MTNR1A
SCHEMBL2088447 0.70 ACACB (0.37) GPBAR1CYSLTR1ACACBMAPTHDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797939-B1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2018-10-31 EP claimed
EP-2797939-A1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2014-11-05 EP claimed
US-20130225849-A1 METHOD OF PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2013-08-29 US claimed
WO-2013098368-A1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2013-07-04 WO claimed
EP-2797939-B1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2018-10-31 EP disclosed
US-9108988-B2 Method of purifying organic diphosphite compounds BASF SE (DE) 2015-08-18 US disclosed
EP-2797939-A1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2014-11-05 EP disclosed
US-20130225849-A1 METHOD OF PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2013-08-29 US disclosed
WO-2013098368-A1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2013-07-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130225849-A1 METHOD OF PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS DCTPP1, DCPS, PPIP5K2 GPBAR1 3560/4885CYSLTR1 3566/4885ACACB 2335/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.